Quantenchemische Untersuchungen zur Struktur und Bindung von Zr6in Zirconium-Clusterverbindungen

摘要

EHT results for the metal core Zr6of zirconium cluster compounds are presented. In the case of CZr6I14the influence of the interstitial atom and the ligands on the Zr–Zr distances and the chemical bond is discusse